[(2R)-1-azanyl-1-oxidanylidene-propan-2-yl] (E)-3-(1-butyl-2,5-dimethyl-pyrrol-3-yl)-2-cyano-prop-2-enoate

Systemtic Name: [(2R)-1-azanyl-1-oxidanylidene-propan-2-yl] (E)-3-(1-butyl-2,5-dimethyl-pyrrol-3-yl)-2-cyano-prop-2-enoate Openeye Name: [(1R)-2-amino-1-methyl-2-oxo-ethyl] (E)-3-(1-butyl-2,5-dimethyl-pyrrol-3-yl)-2-cyano-prop-2-enoate CAS Name: (E)-3-(1-butyl-2,5-dimethyl-3-pyrrolyl)-2-cyano-2-propenoic acid [(2R)-1-amino-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-amino-1-oxopropan-2-yl] (E)-3-(1-butyl-2,5-dimethylpyrrol-3-yl)-2-cyanoprop-2-enoate Traditional Name: (E)-3-(1-butyl-2,5-dimethyl-pyrrol-3-yl)-2-cyano-acrylic acid [(1R)-2-amino-2-keto-1-methyl-ethyl] ester Formula: C17H23N3O3 MolecularWeight: 317.38282

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=CC(=C1C)C=C(C#N)C(=O)OC(C)C(=O)N)C

Isomeric SMILES

CCCCN1C(=CC(=C1C)/C=C(\C#N)/C(=O)O[C@H](C)C(=O)N)C

InChI

InChI=1S/C17H23N3O3/c1-5-6-7-20-11(2)8-14(12(20)3)9-15(10-18)17(22)23-13(4)16(19)21/h8-9,13H,5-7H2,1-4H3,(H2,19,21)/b15-9+/t13-/m1/s1